COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -5.851   0.961   0.316  1.00  0.00           N  
HETATM    2  C   UNL     1      -5.782  -1.162   0.348  1.00  0.00           C  
HETATM    3  N   UNL     1      -6.553  -0.110   0.433  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.708   2.948  -0.143  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.458   1.582  -0.025  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.360   3.298  -0.343  1.00  0.00           C  
HETATM    7  C   UNL     1       2.755   0.345  -0.086  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.643   3.819  -0.305  1.00  0.00           C  
HETATM    9  N   UNL     1       0.109   1.393  -0.257  1.00  0.00           N  
HETATM   10  C   UNL     1       1.044  -4.130  -0.231  1.00  0.00           C  
HETATM   11  C   UNL     1       3.123  -2.410  -0.080  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.042  -2.300   1.319  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.310  -1.546   0.015  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.515  -2.549  -1.121  1.00  0.00           C  
HETATM   15  N   UNL     1      -4.514  -0.725   0.165  1.00  0.00           N  
HETATM   16  C   UNL     1      -4.587   0.642   0.148  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.179   1.924  -0.220  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.214   1.117  -0.066  1.00  0.00           N  
HETATM   19  C   UNL     1       0.288   0.058  -0.254  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.673  -0.684  -0.324  1.00  0.00           O  
HETATM   21  C   UNL     1       1.649  -0.504  -0.166  1.00  0.00           C  
HETATM   22  C   UNL     1       4.024  -0.187  -0.005  1.00  0.00           C  
HETATM   23  C   UNL     1       4.208  -1.559  -0.002  1.00  0.00           C  
HETATM   24  C   UNL     1       1.839  -1.893  -0.163  1.00  0.00           C  
HETATM   25  O   UNL     1       0.772  -2.727  -0.240  1.00  0.00           O  
HETATM   26  S   UNL     1       5.419   0.885   0.096  1.00  0.00           S  
HETATM   27  O   UNL     1       6.532   0.141  -0.380  1.00  0.00           O  
HETATM   28  O   UNL     1       5.014   2.125  -0.469  1.00  0.00           O  
HETATM   29  N   UNL     1       5.701   1.173   1.702  1.00  0.00           N  
HETATM   30  H   UNL     1      -6.099  -2.192   0.412  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.721   3.322  -0.113  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.510   3.952  -0.468  1.00  0.00           H  
HETATM   33  H   UNL     1       2.617   1.416  -0.093  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.809   4.882  -0.399  1.00  0.00           H  
HETATM   35  H   UNL     1       0.877   1.985  -0.286  1.00  0.00           H  
HETATM   36  H   UNL     1       1.676  -4.384  -1.082  1.00  0.00           H  
HETATM   37  H   UNL     1       1.557  -4.395   0.694  1.00  0.00           H  
HETATM   38  H   UNL     1       0.106  -4.682  -0.297  1.00  0.00           H  
HETATM   39  H   UNL     1       3.275  -3.479  -0.078  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.896  -1.585   2.129  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.893  -2.941   1.550  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.147  -2.911   1.208  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.459  -0.905  -0.215  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.366  -3.190  -0.891  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.706  -2.012  -2.050  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.619  -3.161  -1.232  1.00  0.00           H  
HETATM   47  H   UNL     1       5.206  -1.967   0.062  1.00  0.00           H  
HETATM   48  H   UNL     1       4.964   1.167   2.332  1.00  0.00           H  
HETATM   49  H   UNL     1       6.604   1.349   2.012  1.00  0.00           H  
CONECT    1    3   16   16                                            
CONECT    2    3    3   15   30                                       
CONECT    3    1    2    2                                            
CONECT    4    5    5    8   31                                       
CONECT    5    4    4   16   18                                       
CONECT    6    8    8   17   32                                       
CONECT    7   21   21   22   33                                       
CONECT    8    4    6    6   34                                       
CONECT    9   17   19   35                                            
CONECT   10   25   36   37   38                                       
CONECT   11   23   24   24   39                                       
CONECT   12   13   40   41   42                                       
CONECT   13   12   14   15   43                                       
CONECT   14   13   44   45   46                                       
CONECT   15    2   13   16                                            
CONECT   16    1    1    5   15                                       
CONECT   17    6    9   18   18                                       
CONECT   18    5   17   17                                            
CONECT   19    9   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21    7    7   19   24                                       
CONECT   22    7   23   23   26                                       
CONECT   23   11   22   22   47                                       
CONECT   24   11   11   21   25                                       
CONECT   25   10   24                                                 
CONECT   26   22   27   27   28                                       
CONECT   26   28   29                                                 
CONECT   27   26   26                                                 
CONECT   28   26   26                                                 
CONECT   29   26   49   48                                            
CONECT   30    2                                                      
CONECT   31    4                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   14                                                      
CONECT   46   14                                                      
CONECT   47   23                                                      
CONECT   48   29                                                      
CONECT   49   29                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
